⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13890611 | 0.78 | — | — | |
| SCHEMBL998545 | 0.76 | — | — | |
| SCHEMBL10588479 | 0.69 | — | — | |
| SCHEMBL28115854 | 0.69 | — | — | |
| SCHEMBL21984147 | 0.65 | — | — | |
| SCHEMBL3866357 | 0.64 | — | — | |
| SCHEMBL19597414 | 0.63 | — | — | |
| SCHEMBL13479482 | 0.63 | — | — | |
| SCHEMBL6955234 | 0.61 | — | — | |
| SCHEMBL8340068 | 0.61 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008005368-A2 | PIPERAZINES AS P2X7 ANTAGONISTS | ABBOTT LABORATORIES (US) | 2008-01-10 | — | — | WO | disclosed |